1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene

C26H36O — CID 157430816

IUPAC1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
SMILESC.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12.C8H10O.C8H10.CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;/h4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;1H4
InChIKeyBQMYHUXMYZJKMN-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.50
Rot. Bonds2

About 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene

1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene (PubChem CID 157430816) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene.

Molecular Properties

Compound Name1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
PubChem CID157430816
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
SMILESC.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C9H12.C8H10O.C8H10.CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;/h4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;1H4
InChIKeyBQMYHUXMYZJKMN-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-methylbenzene;propane
CID 142064987
1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene
CID 145386274
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
anisole;ethane;ethylbenzene;toluene
CID 91215230
2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
CID 163823681
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
(4-ethylphenyl)-(4-methylphenoxy)phosphane
CID 57100813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene?
The IUPAC name of 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene (CID 157430816) is 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene.
What is the SMILES notation for 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene?
The canonical SMILES for 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene is C.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene?
The InChIKey is BQMYHUXMYZJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H10O.C8H10.CH4/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(9-2)6-4-7;1-7-3-5-8(2)6-4-7;/h4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;1H4.
What are the key properties of 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene?
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene has a molecular weight of 364.57 g/mol, XLogP of 7.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene is sourced from PubChem (CID 157430816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).